SCHEMBL3579776

SCHEMBL3579776

c1cc2c3c(cccc3c1)C(n1ncc3cnc(Nc4ccc(N5CCNCC5)cc4)nc31)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 17/20 0.47
CCND1 P24385 11/20 0.47
CDK2 P24941 9/20 0.47
CCNA2 P20248 8/20 0.47
FGFR1 P11362 7/20 0.47
FGFR2 P21802 7/20 0.47
FGFR4 P22455 7/20 0.47
FGFR3 P22607 7/20 0.47
CCND2 P30279 4/20 0.47
CCND3 P30281 4/20 0.47
CCNA1 P78396 2/20 0.47
CCNE1 P24864 2/20 0.47
CCNE2 O96020 1/20 0.47
CDK6 Q00534 6/20 0.46
JAK2 O60674 1/20 0.46
BRD4 O60885 1/20 0.46
JAK1 P23458 1/20 0.46
BRD2 P25440 1/20 0.46
JAK3 P52333 1/20 0.46
BRD3 Q15059 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3582554 1.00 CDK4 (0.47) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL3580392 1.00 CDK4 (0.47) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL3586958 0.90 CDK4 (0.55) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL3584323 0.90 CDK4 (0.55) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL3584319 0.90 CDK4 (0.55) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL3587314 0.90 CDK4 (0.48) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL3582757 0.90 CDK4 (0.48) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL3584285 0.90 CDK4 (0.48) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL3590707 0.84 ABL1 (0.39) CDK4JAK3FLT3CDK1CCNB1
SCHEMBL3580556 0.84 ABL1 (0.39) CDK4JAK3FLT3CDK1CCNB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US claimed
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US disclosed
EP-2108019-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP disclosed
WO-2008094575-A2 1-H-PYRAZOLO(3,4B)PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B CDK4 102/4885CCND1 210/4885CDK2 11/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.